1A8D

TETANUS TOXIN C FRAGMENT

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	120
Detector technology	CCD
Collection date	1997-12
Detector	ADSC QUANTUM
Spacegroup name	P 21 21 21
Unit cell lengths	71.180, 79.380, 93.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.500 - 1.570
R-factor	0.1785
R-free	0.26180
Structure solution method	COMBINED MIR (SIRAS) AND MAD INITIAL REFINEMENT WITH REFMAC AND X-PLOR. FINAL REFINEMENT WITH SHELXL.
RMSD bond length	0.008
RMSD bond angle	0.025
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.057	0.345
Number of reflections	72263
<I/σ(I)>	9.6	2.05
Completeness [%]	96.6	90.3
Redundancy	4.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	fiber seeding using cryshed initial crystals as seeds	7		9% (W/V) 1M AMMONIUM PHOSPHATE, PH 6.0, AND 92% OF A 10% (W/V) SOLUTION OF PEG 6000 IN 50MM HEPES (PH 7.0). LARGE CRYSTALS (0.2 X 0.2 X 0.5 MM) WERE GROWN BY FIBER SEEDING, USING CRUSHED INITIAL CRYSTALS AS SEEDS., fiber seeding using cryshed initial crystals as seeds