2CBQ

Crystal structure of the neocarzinostatin 1Tes15 mutant bound to testosterone hemisuccinate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	52.976, 97.827, 129.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.2071
Rwork	0.207
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nco
RMSD bond length	0.008
RMSD bond angle	1.407
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.660
High resolution limit [Å]	2.600	2.600
Rmerge	0.110	0.450
Number of reflections	19074
<I/σ(I)>	9	1.5
Completeness [%]	89.5	90.4
Redundancy	1.97	1.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1