3P6L

Crystal structure of a Sugar phosphate isomerase/epimerase (BDI_1903) from Parabacteroides distasonis ATCC 8503 at 1.85 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537,0.9796,0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	82.382, 73.014, 47.536
Unit cell angles	90.00, 103.73, 90.00

Refinement procedure

Resolution	28.638 - 1.850
R-factor	0.1889
Rwork	0.186
R-free	0.23850
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.599
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.638	28.638	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge		0.042	0.818
Total number of observations		823	5331
Number of reflections	23324
<I/σ(I)>	7.9	13.9	0.8
Completeness [%]	99.6	95.8	100
Redundancy	3	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.33	277	45.5% polyethylene glycol 600, 0.1M phosphate-citrate pH 4.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K