5AIX

Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-10
Detector	ADSC CCD
Spacegroup name	I 41
Unit cell lengths	122.228, 122.228, 106.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.650 - 2.100
R-factor	0.26068
Rwork	0.256
R-free	0.34295
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.573
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.210	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.200	1.460
Number of reflections	45383
<I/σ(I)>	8.3	1.5
Completeness [%]	99.8	99.7
Redundancy	7.6	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1