4NTA

Mus Musculus LTC4 synthase in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-24
Detector	PSI PILATUS 6M
Wavelength(s)	0.96863
Spacegroup name	F 2 3
Unit cell lengths	169.575, 169.575, 169.575
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.394 - 2.700
R-factor	0.2302
Rwork	0.229
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uui
RMSD bond length	0.010
RMSD bond angle	1.284
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.959	42.394	2.850
High resolution limit [Å]	1.999	8.540	2.700
Rmerge		0.030	0.817
Total number of observations		1209	4643
Number of reflections	11165
<I/σ(I)>	14	8.2	0.9
Completeness [%]	99.5	98.5	99
Redundancy	3.3	3.3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.3	298	1.9 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacadylate, pH 6.3, VAPOR DIFFUSION, temperature 298K