4LW8

Crystal structure of a putative epimerase from Burkholderia cenocepacia J2315

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-02
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	98.970, 98.970, 173.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.628 - 2.100
R-factor	0.1782
Rwork	0.177
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pk3 modified with CCP4 program chainsaw
RMSD bond length	0.008
RMSD bond angle	1.022
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (dev_1439)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.057	0.020	0.512
Number of reflections	57752	731	4228
<I/σ(I)>	21.2	54.24	3.53
Completeness [%]	99.3	95.8	100
Redundancy	5.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	EmeraldBio JCSG screen c4: 10% PEG 600, 100mM HEPES, pH 7.5, cryo protected with 15% EG. BuceA.00050.a.B1.PS01171 at 23.6 mg/ml, tray 246217, VAPOR DIFFUSION, SITTING DROP, temperature 290K